mirror of
https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-11-04 21:24:09 +01:00
39 lines
1.2 KiB
Matlab
39 lines
1.2 KiB
Matlab
Sold = dlmread('Slater_old.dat');
|
|
Sold_inv = dlmread('Slater_old_inv.dat');
|
|
S = dlmread('Slater.dat');
|
|
S_inv = dlmread('Slater_inv.dat');
|
|
|
|
printf("\n")
|
|
printf("======================================\n")
|
|
printf("OLD Slater-matrix and inverse\n")
|
|
printf("--------------------------------------\n")
|
|
printf("Determinant of S x S_inv : %f\n", det(Sold*Sold_inv))
|
|
printf("Trace of S x S_inv : %f\n", trace(Sold*Sold_inv))
|
|
printf("Norm of S x S_inv : %f\n", norm(Sold*Sold_inv))
|
|
|
|
printf("\n")
|
|
printf("NEW Slater-matrix and inverse\n")
|
|
printf("--------------------------------------\n")
|
|
printf("Determinant of S x S_inv : %f\n", det(S*S_inv))
|
|
printf("Trace of S x S_inv : %f\n", trace(S*S_inv))
|
|
printf("Norm of S x S_inv : %f\n", norm(S*S_inv))
|
|
|
|
cutoff = 1e-6;
|
|
printf("\n")
|
|
printf("Cutoff set to %e: S x S_inv = \n", cutoff)
|
|
printf(" -----------------------------------------\n")
|
|
dim = columns(S);
|
|
res=S*S_inv;
|
|
for i = 1:dim
|
|
for j = 1:dim
|
|
if (res(i,j) < cutoff)
|
|
res(i,j) = 0;
|
|
elseif (S(i,j)-1 < cutoff)
|
|
res(i,j) = 1;
|
|
endif
|
|
endfor
|
|
endfor
|
|
format free;
|
|
disp(res);
|
|
printf(" =========================================\n")
|